Pair-Distance Distribution Function P(R) of Protein Solution at Crystallographic Resolution

Pair density distribution function of membrane particles at low density.

Pair distribution function computed tomography.

An emerging theme of modern composites and devices is the coupling of nanostructural properties of materials with their targeted arrangement at the microscale. Of the imaging techniques developed that provide insight into such designer materials and devices, those based on diffraction are particularly useful. However, to date, these have been heavily restrictive, providing information only on m...

Single-Particle Cryo-EM at Crystallographic Resolution

Until only a few years ago, single-particle electron cryo-microscopy (cryo-EM) was usually not the first choice for many structural biologists due to its limited resolution in the range of nanometer to subnanometer. Now, this method rivals X-ray crystallography in terms of resolution and can be used to determine atomic structures of macromolecules that are either refractory to crystallization o...

Solution Extraction from Long-distance Resolution Proofs

Much effort has been devoted in the past decade to the development of decision procedures for quantified Boolean formulas (QBFs) in order to improve their performance. Besides solving the decision problem of whether a closed QBF is true and returning yes or no, modern QBF solvers can produce clause or cube proofs to certify their answer. These proofs can be used to derive solutions to problems ...

Towards solution and refinement of organic crystal structures by fitting to the atomic pair distribution function.

A method towards the solution and refinement of organic crystal structures by fitting to the atomic pair distribution function (PDF) is developed. Approximate lattice parameters and molecular geometry must be given as input. The molecule is generally treated as a rigid body. The positions and orientations of the molecules inside the unit cell are optimized starting from random values. The PDF i...